5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole

C9H7ClN6S — CID 65428053

IUPAC5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
SMILESCc1nnsc1-c1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C9H7ClN6S/c1-4-8(17-15-12-4)9-14-13-7-3-6(10)11-5(2)16(7)9/h3H,1-2H3
InChIKeyWLUGFBHNKKGEQI-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.91
Rot. Bonds1

About 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole

5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole (PubChem CID 65428053) has the molecular formula C9H7ClN6S and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
PubChem CID65428053
Molecular FormulaC9H7ClN6S
Molecular Weight266.72 g/mol
Exact Mass266.01
IUPAC Name5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
SMILESCc1nnsc1-c1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C9H7ClN6S/c1-4-8(17-15-12-4)9-14-13-7-3-6(10)11-5(2)16(7)9/h3H,1-2H3
InChIKeyWLUGFBHNKKGEQI-UHFFFAOYSA-N
XLogP1.91
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
The IUPAC name of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole (CID 65428053) is 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole.
What is the SMILES notation for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
The canonical SMILES for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole is Cc1nnsc1-c1nnc2cc(Cl)nc(C)n12.
What is the InChIKey of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
The InChIKey is WLUGFBHNKKGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6S/c1-4-8(17-15-12-4)9-14-13-7-3-6(10)11-5(2)16(7)9/h3H,1-2H3.
What are the key properties of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole has a molecular weight of 266.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole is sourced from PubChem (CID 65428053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).